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BRANDISIANIN_A
SpectraBase Compound ID AEraQZDvfAY
InChI InChI=1S/C22H22O7/c1-12(2)5-6-28-19-10-17(26-3)14(9-18(19)27-4)15-11-29-20-8-13(23)7-16(24)21(20)22(15)25/h5,7-11,23-24H,6H2,1-4H3
InChIKey VFNNZAGIIRJDBX-UHFFFAOYSA-N
Mol Weight 398.41 g/mol
Molecular Formula C22H22O7
Exact Mass 398.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LuW3ahfXdrH
Name Brandisianin A
Alternate Name(s) 3-[2,5-dimethoxy-4-(3-methylbut-2-enoxy)phenyl]-5,7-dihydroxy-1-benzopyran-4-one 3-[2,5-dimethoxy-4-(3-methylbut-2-enoxy)phenyl]-5,7-dihydroxychromen-4-one 3-[2,5-dimethoxy-4-(3-methylbut-2-enoxy)phenyl]-5,7-dihydroxy-chromen-4-one 3-[2,5-dimethoxy-4-(3-methylbut-2-enoxy)phenyl]-5,7-bis(oxidanyl)chromen-4-one
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Formula C22H22O7
InChI InChI=1S/C22H22O7/c1-12(2)5-6-28-19-10-17(26-3)14(9-18(19)27-4)15-11-29-20-8-13(23)7-16(24)21(20)22(15)25/h5,7-11,23-24H,6H2,1-4H3
InChIKey VFNNZAGIIRJDBX-UHFFFAOYSA-N
Molecular Weight 398.411 g/mol
SMILES Oc1cc2OC=C(C(c2c(c1)O)=O)c1c(cc(OCC=C(C)C)c(c1)OC)OC
SPLASH splash10-001i-0239000000-6dc30f2ab97e13fe93a9
Source of Spectrum G4-70-1913-1
Wiley ID 1694850